2-[(5-methylfuran-2-yl)methylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

C15H17N3O4S — CID 69448827

IUPAC2-[(5-methylfuran-2-yl)methylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESCc1ccc(CNC(=O)Nc2sc3c(c2C(N)=O)CCOC3)o1
InChIInChI=1S/C15H17N3O4S/c1-8-2-3-9(22-8)6-17-15(20)18-14-12(13(16)19)10-4-5-21-7-11(10)23-14/h2-3H,4-7H2,1H3,(H2,16,19)(H2,17,18,20)
InChIKeyGKGGQMRQZJGGAR-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.14
Rot. Bonds4

About 2-[(5-methylfuran-2-yl)methylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

2-[(5-methylfuran-2-yl)methylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (PubChem CID 69448827) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-[(5-methylfuran-2-yl)methylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.

Molecular Properties

Compound Name2-[(5-methylfuran-2-yl)methylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
PubChem CID69448827
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name2-[(5-methylfuran-2-yl)methylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESCc1ccc(CNC(=O)Nc2sc3c(c2C(N)=O)CCOC3)o1
InChIInChI=1S/C15H17N3O4S/c1-8-2-3-9(22-8)6-17-15(20)18-14-12(13(16)19)10-4-5-21-7-11(10)23-14/h2-3H,4-7H2,1H3,(H2,16,19)(H2,17,18,20)
InChIKeyGKGGQMRQZJGGAR-UHFFFAOYSA-N
XLogP2.14
TPSA106.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylfuran-2-yl)methylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The IUPAC name of 2-[(5-methylfuran-2-yl)methylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (CID 69448827) is 2-[(5-methylfuran-2-yl)methylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.
What is the SMILES notation for 2-[(5-methylfuran-2-yl)methylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The canonical SMILES for 2-[(5-methylfuran-2-yl)methylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is Cc1ccc(CNC(=O)Nc2sc3c(c2C(N)=O)CCOC3)o1.
What is the InChIKey of 2-[(5-methylfuran-2-yl)methylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The InChIKey is GKGGQMRQZJGGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-8-2-3-9(22-8)6-17-15(20)18-14-12(13(16)19)10-4-5-21-7-11(10)23-14/h2-3H,4-7H2,1H3,(H2,16,19)(H2,17,18,20).
What are the key properties of 2-[(5-methylfuran-2-yl)methylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
2-[(5-methylfuran-2-yl)methylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylfuran-2-yl)methylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is sourced from PubChem (CID 69448827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).